(E)-2-cyano-N-(2,5-dichlorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enamide
Formula:C23H16N2O2Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(E)-2-cyano-N-(2,5-dichlorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-2-cyano-N-(2,5-dichlorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enamide |
| MolecularFormula | C23H16N2O2Cl2 |
| Smiles | N#C/C(/C(Nc(cc(cc1)Cl)c1Cl)=O)=C\c(cccc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C23H16Cl2N2O2/c24-19-10-11-20(25)21(13-19)27-23(28)18(14-26)12-17-8-4-5-9-22(17)29-15-16-6-2-1-3-7-16/h1-13H,15H2,(H,27,28) |
| InChIK | QKXPTOGMPNTDDA-UHFFFAOYSA-N |
| TotalMolweight | 423.298 |
| Molweight | 423.298 |
| MonoisotopicMass | 422.058882 |
| CLogP | 5.5484 |
| CLogS | -6.583 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 323.01 |
| Relative PSA | 0.14879 |
| PolarSurfaceArea | 62.12 |
| Druglikeness | -1.9128 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | twice activated DB |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (E)-2-cyano-N-(2,5-dichlorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enamide | 2 - (E)-2-cyano-N-(2,5-dichlorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enamide
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